2-[5-chloro-1-[4-(cyclopropylmethoxy)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide

C23H25ClN2O3 — CID 167973633

IUPAC2-[5-chloro-1-[4-(cyclopropylmethoxy)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CN(C(=O)c2ccc(OCC3CC3)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C23H25ClN2O3/c1-25(2)22(27)11-17-13-26(21-10-7-18(24)12-20(17)21)23(28)16-5-8-19(9-6-16)29-14-15-3-4-15/h5-10,12,15,17H,3-4,11,13-14H2,1-2H3
InChIKeyUFPFJFSKKONBPI-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.35
Rot. Bonds6

About 2-[5-chloro-1-[4-(cyclopropylmethoxy)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide

2-[5-chloro-1-[4-(cyclopropylmethoxy)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide (PubChem CID 167973633) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is 2-[5-chloro-1-[4-(cyclopropylmethoxy)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-chloro-1-[4-(cyclopropylmethoxy)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide
PubChem CID167973633
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name2-[5-chloro-1-[4-(cyclopropylmethoxy)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CN(C(=O)c2ccc(OCC3CC3)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C23H25ClN2O3/c1-25(2)22(27)11-17-13-26(21-10-7-18(24)12-20(17)21)23(28)16-5-8-19(9-6-16)29-14-15-3-4-15/h5-10,12,15,17H,3-4,11,13-14H2,1-2H3
InChIKeyUFPFJFSKKONBPI-UHFFFAOYSA-N
XLogP4.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-[4-(cyclopropylmethoxy)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-chloro-1-[4-(cyclopropylmethoxy)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide (CID 167973633) is 2-[5-chloro-1-[4-(cyclopropylmethoxy)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-chloro-1-[4-(cyclopropylmethoxy)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-chloro-1-[4-(cyclopropylmethoxy)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide is CN(C)C(=O)CC1CN(C(=O)c2ccc(OCC3CC3)cc2)c2ccc(Cl)cc21.
What is the InChIKey of 2-[5-chloro-1-[4-(cyclopropylmethoxy)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide?
The InChIKey is UFPFJFSKKONBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-25(2)22(27)11-17-13-26(21-10-7-18(24)12-20(17)21)23(28)16-5-8-19(9-6-16)29-14-15-3-4-15/h5-10,12,15,17H,3-4,11,13-14H2,1-2H3.
What are the key properties of 2-[5-chloro-1-[4-(cyclopropylmethoxy)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide?
2-[5-chloro-1-[4-(cyclopropylmethoxy)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide has a molecular weight of 412.92 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-[4-(cyclopropylmethoxy)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 167973633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).